# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c963bd9-84ef-447a-bb90-41bccda7fa77/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for K2Cd(AuS)4 / Ibam (72) / materials id 557832](https://mdr.nims.go.jp/datasets/fac56f88-3e3a-4036-abc5-cf025d5fdda0) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Ibam" number: 72 Hall_symbol: "-I 2 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Au # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 196.966569 - symbol: Au # 10 coordinates: [ 0.139316460000000, 0.139316460000000, 0.000000000000000 ] mass: 196.966569 - symbol: Au # 11 coordinates: [ 0.860683540000000, 0.860683540000000, 0.000000000000000 ] mass: 196.966569 - symbol: Au # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 196.966569 - symbol: Au # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 196.966569 - symbol: Au # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 196.966569 - symbol: S # 15 coordinates: [ 0.741869620000000, 0.912307610000000, 0.394778810000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.017528800000000, 0.412307610000000, 0.170437990000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.482471200000000, 0.652909190000000, 0.394778810000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.258130380000000, 0.087692390000000, 0.605221190000000 ] mass: 32.065000 - 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